ethyl 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate

C26H31N5O5 — CID 170574798

About ethyl 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate

ethyl 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 170574798) has the molecular formula C26H31N5O5 and a molecular weight of 493.56 g/mol. Its IUPAC name is ethyl 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

• Compound Name: ethyl 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate
• PubChem CID: 170574798
• Molecular Formula: C26H31N5O5
• Molecular Weight: 493.56 g/mol
• Exact Mass: 493.23
• IUPAC Name: ethyl 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate
• SMILES: CCOC(=O)c1nc(-c2cccc(-c3cc([C@]4(O)CCN(C)C4=O)on3)c2)n2c1CN(C(C)C)CC2
• InChI: InChI=1S/C26H31N5O5/c1-5-35-24(32)22-20-15-30(16(2)3)11-12-31(20)23(27-22)18-8-6-7-17(13-18)19-14-21(36-28-19)26(34)9-10-29(4)25(26)33/h6-8,13-14,16,34H,5,9-12,15H2,1-4H3/t26-/m1/s1
• InChIKey: YLJKWIUWWIYLCQ-AREMUKBSSA-N
• XLogP: 2.66
• TPSA: 113.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.56
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

The IUPAC name of ethyl 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 170574798) is ethyl 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

What is the SMILES notation for ethyl 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

The canonical SMILES for ethyl 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate is CCOC(=O)c1nc(-c2cccc(-c3cc([C@]4(O)CCN(C)C4=O)on3)c2)n2c1CN(C(C)C)CC2.

What is the InChIKey of ethyl 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

The InChIKey is YLJKWIUWWIYLCQ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H31N5O5/c1-5-35-24(32)22-20-15-30(16(2)3)11-12-31(20)23(27-22)18-8-6-7-17(13-18)19-14-21(36-28-19)26(34)9-10-29(4)25(26)33/h6-8,13-14,16,34H,5,9-12,15H2,1-4H3/t26-/m1/s1.

What are the key properties of ethyl 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

ethyl 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 493.56 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 170574798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).